2-[[5-[(2-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(2-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-(o-tolylcarbamoyl)-1,3,4-thiadiazol-2-yl]methylsulfanyl]acetic acid CAS Name: 2-[[5-[(2-methylanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methylthio]acetic acid IUPAC Name: 2-[[5-[(2-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-(o-tolylcarbamoyl)-1,3,4-thiadiazol-2-yl]methylthio]acetic acid Formula: C13H13N3O3S2 MolecularWeight: 323.39062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=NN=C(S2)CSCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=NN=C(S2)CSCC(=O)O

InChI

InChI=1S/C13H13N3O3S2/c1-8-4-2-3-5-9(8)14-12(19)13-16-15-10(21-13)6-20-7-11(17)18/h2-5H,6-7H2,1H3,(H,14,19)(H,17,18)